ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine

C203H289N25O4S8 — CID 161405094

IUPACethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C5CCNCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCN5CCCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCc5cnc[nH]5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CN)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCC(N)C5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCC(O)CO)CC4)n3)ccc21.CCOC(=O)C1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C28H41N3S.C27H36N4S.C27H39N3S.C26H38N4S.C25H37N3O2S.C25H34N2O2S.C23H33N3S.C22H31N3S/c1-27(2)12-13-28(3,4)24-19-22(7-8-23(24)27)25-20-32-26(29-25)31-17-10-21(11-18-31)9-16-30-14-5-6-15-30;1-26(2)11-12-27(3,4)23-15-20(6-8-22(23)26)24-17-32-25(30-24)31-13-9-19(10-14-31)5-7-21-16-28-18-29-21;1-26(2)11-12-27(3,4)23-17-21(5-6-22(23)26)24-18-31-25(29-24)30-15-9-20(10-16-30)19-7-13-28-14-8-19;1-25(2)10-11-26(3,4)22-15-18(5-6-21(22)25)23-17-31-24(28-23)29-13-8-20(9-14-29)30-12-7-19(27)16-30;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)22-16-31-23(27-22)28-11-7-18(8-12-28)26-14-19(30)15-29;1-6-29-22(28)17-9-13-27(14-10-17)23-26-21(16-30-23)18-7-8-19-20(15-18)25(4,5)12-11-24(19,2)3;1-22(2)9-10-23(3,4)19-13-17(5-6-18(19)22)20-15-27-21(25-20)26-11-7-16(14-24)8-12-26;1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-14-26-20(24-19)25-11-7-16(23)8-12-25/h7-8,19-21H,5-6,9-18H2,1-4H3;6,8,15-19H,5,7,9-14H2,1-4H3,(H,28,29);5-6,17-20,28H,7-16H2,1-4H3;5-6,15,17,19-20H,7-14,16,27H2,1-4H3;5-6,13,16,18-19,26,29-30H,7-12,14-15H2,1-4H3;7-8,15-17H,6,9-14H2,1-5H3;5-6,13,15-16H,7-12,14,24H2,1-4H3;5-6,13-14,16H,7-12,23H2,1-4H3
InChIKeyVUSSGPBITMZFRG-UHFFFAOYSA-N
MW3400.25 g/mol
LogP45.56
Rot. Bonds31

About ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine

ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine (PubChem CID 161405094) has the molecular formula C203H289N25O4S8 and a molecular weight of 3400.25 g/mol. Its IUPAC name is ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Nameethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine
PubChem CID161405094
Molecular FormulaC203H289N25O4S8
Molecular Weight3400.25 g/mol
Exact Mass3397.09
IUPAC Nameethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C5CCNCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCN5CCCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCc5cnc[nH]5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CN)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCC(N)C5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCC(O)CO)CC4)n3)ccc21.CCOC(=O)C1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C28H41N3S.C27H36N4S.C27H39N3S.C26H38N4S.C25H37N3O2S.C25H34N2O2S.C23H33N3S.C22H31N3S/c1-27(2)12-13-28(3,4)24-19-22(7-8-23(24)27)25-20-32-26(29-25)31-17-10-21(11-18-31)9-16-30-14-5-6-15-30;1-26(2)11-12-27(3,4)23-15-20(6-8-22(23)26)24-17-32-25(30-24)31-13-9-19(10-14-31)5-7-21-16-28-18-29-21;1-26(2)11-12-27(3,4)23-17-21(5-6-22(23)26)24-18-31-25(29-24)30-15-9-20(10-16-30)19-7-13-28-14-8-19;1-25(2)10-11-26(3,4)22-15-18(5-6-21(22)25)23-17-31-24(28-23)29-13-8-20(9-14-29)30-12-7-19(27)16-30;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)22-16-31-23(27-22)28-11-7-18(8-12-28)26-14-19(30)15-29;1-6-29-22(28)17-9-13-27(14-10-17)23-26-21(16-30-23)18-7-8-19-20(15-18)25(4,5)12-11-24(19,2)3;1-22(2)9-10-23(3,4)19-13-17(5-6-18(19)22)20-15-27-21(25-20)26-11-7-16(14-24)8-12-26;1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-14-26-20(24-19)25-11-7-16(23)8-12-25/h7-8,19-21H,5-6,9-18H2,1-4H3;6,8,15-19H,5,7,9-14H2,1-4H3,(H,28,29);5-6,17-20,28H,7-16H2,1-4H3;5-6,15,17,19-20H,7-14,16,27H2,1-4H3;5-6,13,16,18-19,26,29-30H,7-12,14-15H2,1-4H3;7-8,15-17H,6,9-14H2,1-5H3;5-6,13,15-16H,7-12,14,24H2,1-4H3;5-6,13-14,16H,7-12,23H2,1-4H3
InChIKeyVUSSGPBITMZFRG-UHFFFAOYSA-N
XLogP45.56
TPSA333.08 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003400.25
LogP ≤ 545.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine (CID 161405094) is ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C5CCNCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCN5CCCC5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CCc5cnc[nH]5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CN)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N5CCC(N)C5)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCC(O)CO)CC4)n3)ccc21.CCOC(=O)C1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine?
The InChIKey is VUSSGPBITMZFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3S.C27H36N4S.C27H39N3S.C26H38N4S.C25H37N3O2S.C25H34N2O2S.C23H33N3S.C22H31N3S/c1-27(2)12-13-28(3,4)24-19-22(7-8-23(24)27)25-20-32-26(29-25)31-17-10-21(11-18-31)9-16-30-14-5-6-15-30;1-26(2)11-12-27(3,4)23-15-20(6-8-22(23)26)24-17-32-25(30-24)31-13-9-19(10-14-31)5-7-21-16-28-18-29-21;1-26(2)11-12-27(3,4)23-17-21(5-6-22(23)26)24-18-31-25(29-24)30-15-9-20(10-16-30)19-7-13-28-14-8-19;1-25(2)10-11-26(3,4)22-15-18(5-6-21(22)25)23-17-31-24(28-23)29-13-8-20(9-14-29)30-12-7-19(27)16-30;1-24(2)9-10-25(3,4)21-13-17(5-6-20(21)24)22-16-31-23(27-22)28-11-7-18(8-12-28)26-14-19(30)15-29;1-6-29-22(28)17-9-13-27(14-10-17)23-26-21(16-30-23)18-7-8-19-20(15-18)25(4,5)12-11-24(19,2)3;1-22(2)9-10-23(3,4)19-13-17(5-6-18(19)22)20-15-27-21(25-20)26-11-7-16(14-24)8-12-26;1-21(2)9-10-22(3,4)18-13-15(5-6-17(18)21)19-14-26-20(24-19)25-11-7-16(23)8-12-25/h7-8,19-21H,5-6,9-18H2,1-4H3;6,8,15-19H,5,7,9-14H2,1-4H3,(H,28,29);5-6,17-20,28H,7-16H2,1-4H3;5-6,15,17,19-20H,7-14,16,27H2,1-4H3;5-6,13,16,18-19,26,29-30H,7-12,14-15H2,1-4H3;7-8,15-17H,6,9-14H2,1-5H3;5-6,13,15-16H,7-12,14,24H2,1-4H3;5-6,13-14,16H,7-12,23H2,1-4H3.
What are the key properties of ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine?
ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine has a molecular weight of 3400.25 g/mol, XLogP of 45.56, 31 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylate;2-[4-[2-(1H-imidazol-5-yl)ethyl]piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-(4-piperidin-4-ylpiperidin-1-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-amine;3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine;1-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 161405094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).